1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

C21H32N2O3 — CID 25279824

IUPAC1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C21H32N2O3/c24-18-21(10-8-19-6-2-1-3-7-19)11-15-22(16-12-21)20(25)9-14-23-13-4-5-17-26-23/h1-3,6-7,24H,4-5,8-18H2
InChIKeySMONIQOJFGSVAZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.64
Rot. Bonds7

About 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one

1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (PubChem CID 25279824) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
PubChem CID25279824
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one
SMILESO=C(CCN1CCCCO1)N1CCC(CO)(CCc2ccccc2)CC1
InChIInChI=1S/C21H32N2O3/c24-18-21(10-8-19-6-2-1-3-7-19)11-15-22(16-12-21)20(25)9-14-23-13-4-5-17-26-23/h1-3,6-7,24H,4-5,8-18H2
InChIKeySMONIQOJFGSVAZ-UHFFFAOYSA-N
XLogP2.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one with MolForge

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Related Compounds

1-[3-[3-Benzyl-3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 24790770
[1-But-2-ynoyl-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16192051
1-{4-[3-(Hydroxymethyl)-3-(2-methylbenzyl)piperidin-1-yl]-4-oxobutyl}piperidin-2-one
CID 16191607
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutanoyl)piperidin-4-yl]methanol
CID 23723811
[1-[3-(2-Isoxazolidinyl)propanoyl]-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 24817410
[4-(2-phenylethyl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperidin-4-yl]methanol
CID 16188733
{4-Benzyl-1-[3-(1,2-oxazinan-2-yl)propanoyl]-4-piperidinyl}methanol
CID 25460702
[1-[3-(2-Isoxazolidinyl)propanoyl]-3-(3-phenylpropyl)-3-piperidinyl]methanol
CID 45219659
2-(3-{3-[2-(3,4-Difluorophenyl)ethyl]-1-piperidinyl}-3-oxopropyl)-1,2-oxazinane
CID 45243687
2-{3-Oxo-3-[2-(3-phenylpropyl)-4-morpholinyl]propyl}-1,2-oxazinane
CID 45206177
3-(oxazinan-2-yl)-1-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]propan-1-one
CID 25489229
2-(3-{3-[2-(2-Fluorophenyl)ethyl]-1-piperidinyl}-3-oxopropyl)-1,2-oxazinane
CID 45245934

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one (CID 25279824) is 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is O=C(CCN1CCCCO1)N1CCC(CO)(CCc2ccccc2)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
The InChIKey is SMONIQOJFGSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c24-18-21(10-8-19-6-2-1-3-7-19)11-15-22(16-12-21)20(25)9-14-23-13-4-5-17-26-23/h1-3,6-7,24H,4-5,8-18H2.
What are the key properties of 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one?
1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-3-(oxazinan-2-yl)propan-1-one is sourced from PubChem (CID 25279824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).